#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5j s SER 2 N 0.00 2.70 -0.04 1.61 1.04 -1.26 -5.04 113.70 112.71 1x5j s SER 2 Ca 0.00 -0.49 -0.17 0.00 0.48 0.00 0.00 55.95 55.77 1x5j s SER 2 Cb 0.00 -1.23 -0.11 0.00 0.10 0.00 0.00 66.02 64.78 1x5j s SER 2 CO 0.00 0.05 0.71 0.28 0.98 0.00 0.00 173.24 175.26 1x5j h SER 3 N 7.32 -0.37 -2.41 7.02 0.02 -2.10 -3.48 113.55 119.54 1x5j h SER 3 Ca -0.31 -0.10 -0.09 0.00 -0.84 0.00 0.00 61.79 60.46 1x5j h SER 3 Cb 1.19 0.09 0.04 0.00 0.14 0.00 0.00 62.40 63.86 1x5j h SER 3 CO 0.51 0.10 -0.17 0.61 -1.14 0.00 0.00 176.83 176.75 1x5j n GLY 4 N 0.46 0.47 3.25 -3.77 0.00 -1.26 -5.06 105.19 99.27 1x5j n GLY 4 Ca -0.07 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 1x5j n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5j s SER 5 N -3.17 0.16 -0.07 1.61 0.01 -1.26 -5.08 113.70 105.90 1x5j s SER 5 Ca 0.08 -1.10 -0.27 0.00 1.31 0.00 0.00 55.95 55.98 1x5j s SER 5 Cb -0.04 0.38 -0.23 0.00 0.21 0.00 0.00 66.02 66.35 1x5j s SER 5 CO 0.17 -0.83 1.06 0.28 0.41 0.00 0.00 173.24 174.32 1x5j h SER 6 N 2.67 0.03 0.00 2.44 0.02 -2.07 -3.46 113.55 113.18 1x5j h SER 6 Ca -0.33 -0.71 0.00 0.00 -0.84 0.00 0.00 61.79 59.91 1x5j h SER 6 Cb 1.22 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1x5j h SER 6 CO 0.53 0.73 0.00 0.61 -1.14 0.00 0.00 176.83 177.56 1x5j n GLY 7 N 0.83 -1.52 2.89 -3.77 0.00 -1.26 -5.18 105.19 97.18 1x5j n GLY 7 Ca -0.09 0.93 -0.25 0.00 0.00 0.00 0.00 46.02 46.62 1x5j n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5j n PRO 8 N 0.00 -2.77 -2.67 1.61 -0.04 -1.26 -5.00 135.00 124.87 1x5j n PRO 8 Ca 0.00 -1.44 -0.37 0.00 -0.04 0.00 0.00 63.50 61.64 1x5j n PRO 8 Cb 0.00 -1.35 -0.05 0.00 -0.04 0.00 0.00 33.50 32.06 1x5j n PRO 8 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1x5j s MET 9 N -5.05 4.47 0.12 0.54 -1.94 -1.20 -5.04 119.30 111.20 1x5j s MET 9 Ca 0.59 1.45 -0.13 0.00 -1.71 0.00 0.00 55.69 55.89 1x5j s MET 9 Cb -0.06 -2.79 -0.07 0.00 2.01 0.00 0.00 34.83 33.92 1x5j s MET 9 CO 0.45 0.15 0.51 0.00 -0.01 0.00 0.00 175.02 176.12 1x5j s MET 10 N -2.07 3.93 0.97 2.03 0.23 -1.26 -3.86 119.30 119.27 1x5j s MET 10 Ca 0.51 0.42 -0.12 0.00 -1.03 0.00 0.00 55.69 55.47 1x5j s MET 10 Cb -0.22 -2.97 0.17 0.00 -1.53 0.00 0.00 34.83 30.29 1x5j s MET 10 CO 0.28 0.51 1.09 -1.25 -2.03 0.00 0.00 175.02 173.62 1x5j s PRO 11 N -1.88 0.62 1.21 3.16 0.04 -1.26 -4.82 135.00 132.07 1x5j s PRO 11 Ca 0.36 0.59 -0.19 0.00 0.04 0.00 0.00 61.00 61.79 1x5j s PRO 11 Cb -0.15 -1.75 0.29 0.00 0.04 0.00 0.00 34.50 32.93 1x5j s PRO 11 CO 0.19 -2.62 1.11 -1.25 0.04 0.00 0.00 177.00 174.47 1x5j s PRO 12 N -4.96 -1.27 0.25 0.56 0.04 -1.26 -4.95 135.00 123.41 1x5j s PRO 12 Ca 0.65 -0.08 0.05 0.00 0.04 0.00 0.00 61.00 61.66 1x5j s PRO 12 Cb -0.18 -1.59 -0.02 0.00 0.04 0.00 0.00 34.50 32.74 1x5j s PRO 12 CO 0.57 -3.74 0.20 1.33 0.04 0.00 0.00 177.00 175.40 1x5j n VAL 13 N -4.77 0.00 -1.79 -0.36 0.24 -0.89 -4.78 118.33 105.98 1x5j n VAL 13 Ca 0.13 -1.79 -0.17 0.00 -2.04 0.00 0.00 64.34 60.48 1x5j n VAL 13 Cb 0.60 0.87 -0.05 0.00 -1.47 0.00 0.00 33.84 33.78 1x5j n VAL 13 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x5j n GLY 14 N -0.41 0.89 3.60 7.63 0.00 -1.26 -0.38 105.19 115.26 1x5j n GLY 14 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1x5j n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x5j s VAL 15 N -2.55 3.46 0.33 1.61 1.01 -1.26 -4.28 120.40 118.72 1x5j s VAL 15 Ca 0.00 0.47 0.03 0.00 0.00 0.00 0.00 61.98 62.48 1x5j s VAL 15 Cb 0.00 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 1x5j s VAL 15 CO 0.00 -0.36 0.08 -1.10 0.00 0.00 0.00 175.10 173.72 1x5j s GLN 16 N 5.58 1.66 -0.17 2.72 -0.21 -1.14 -4.82 119.66 123.29 1x5j s GLN 16 Ca 0.81 -1.94 -0.05 0.00 0.02 0.00 0.00 55.36 54.20 1x5j s GLN 16 Cb -0.24 -0.68 0.06 0.00 1.00 0.00 0.00 33.01 33.16 1x5j s GLN 16 CO 0.34 -0.28 0.10 0.00 -2.12 0.00 0.00 175.29 173.33 1x5j s ALA 17 N -3.38 0.34 -0.43 6.09 0.00 -1.26 -3.75 121.76 119.37 1x5j s ALA 17 Ca 0.34 -0.21 -0.12 0.00 0.00 0.00 0.00 51.96 51.97 1x5j s ALA 17 Cb 0.07 -1.03 0.06 0.00 0.00 0.00 0.00 23.12 22.22 1x5j s ALA 17 CO 0.15 -1.13 0.30 -1.12 0.00 0.00 0.00 175.76 173.96 1x5j s SER 18 N 2.16 5.86 0.05 0.00 0.01 -0.90 -4.92 113.70 115.96 1x5j s SER 18 Ca 0.03 -1.31 -0.30 0.00 1.31 0.00 0.00 55.95 55.67 1x5j s SER 18 Cb -0.16 -2.07 -0.08 0.00 0.21 0.00 0.00 66.02 63.92 1x5j s SER 18 CO -0.09 -0.54 1.74 -0.63 0.41 0.00 0.00 173.24 174.13 1x5j s ILE 19 N 1.54 3.07 -0.20 1.44 -1.09 -1.26 -2.35 121.20 122.34 1x5j s ILE 19 Ca 0.03 0.37 -0.07 0.00 -2.23 0.00 0.00 60.65 58.75 1x5j s ILE 19 Cb -0.22 -3.24 -0.10 0.00 -1.58 0.00 0.00 42.46 37.32 1x5j s ILE 19 CO 0.05 -0.01 -0.24 0.18 -1.23 0.00 0.00 174.94 173.69 1x5j n LEU 20 N 6.32 1.91 -4.35 2.97 4.77 -1.16 -4.98 117.00 122.47 1x5j n LEU 20 Ca 0.17 0.14 -0.21 0.00 -0.03 0.00 0.00 56.01 56.08 1x5j n LEU 20 Cb 0.41 -0.62 -0.08 0.00 -2.33 0.00 0.00 43.42 40.79 1x5j n LEU 20 CO 0.64 0.55 -0.13 -0.44 -1.33 0.00 0.00 177.39 176.67 1x5j s SER 21 N -6.55 1.99 0.53 -1.43 0.01 -1.13 -4.97 113.70 102.15 1x5j s SER 21 Ca -0.28 -1.74 0.30 0.00 1.31 0.00 0.00 55.95 55.54 1x5j s SER 21 Cb 0.10 0.56 1.43 0.00 0.21 0.00 0.00 66.02 68.31 1x5j s SER 21 CO 0.38 -1.03 2.03 1.12 0.41 0.00 0.00 173.24 176.15 1x5j h HIS 22 N 2.03 0.00 0.00 2.43 2.07 -1.89 -3.01 115.15 116.78 1x5j h HIS 22 Ca -0.28 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.19 1x5j h HIS 22 Cb 1.24 0.00 -0.12 0.00 2.57 0.00 0.00 27.41 31.11 1x5j h HIS 22 CO 1.66 0.10 -0.56 -0.40 -3.07 0.00 0.00 177.93 175.67 1x5j n ASP 23 N -3.40 1.14 -4.02 3.10 5.75 -1.26 -3.68 116.55 114.18 1x5j n ASP 23 Ca -0.01 -2.63 -0.16 0.00 -0.01 0.00 0.00 54.79 51.99 1x5j n ASP 23 Cb 0.28 -0.35 -0.13 0.00 -1.03 0.00 0.00 41.12 39.89 1x5j n ASP 23 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1x5j s THR 24 N -1.27 0.56 -0.14 2.12 2.01 -1.14 -1.27 115.64 116.52 1x5j s THR 24 Ca 0.25 -0.59 -0.14 0.00 0.31 0.00 0.00 61.69 61.51 1x5j s THR 24 Cb 0.25 -0.53 0.04 0.00 0.01 0.00 0.00 72.50 72.27 1x5j s THR 24 CO -0.06 -0.04 0.39 -0.63 -0.69 0.00 0.00 174.62 173.59 1x5j s ILE 25 N -0.60 0.01 -0.21 1.82 1.01 -0.33 -2.83 121.20 120.07 1x5j s ILE 25 Ca -0.02 -0.04 -0.07 0.00 0.00 0.00 0.00 60.65 60.52 1x5j s ILE 25 Cb -0.05 -0.57 -0.03 0.00 0.01 0.00 0.00 42.46 41.82 1x5j s ILE 25 CO 0.00 -0.02 0.05 -0.60 0.00 0.00 0.00 174.94 174.37 1x5j s ARG 26 N 0.05 3.80 -0.24 2.79 3.52 -0.99 -1.65 118.95 126.22 1x5j s ARG 26 Ca -0.01 -0.43 0.01 0.00 -0.13 0.00 0.00 55.73 55.17 1x5j s ARG 26 Cb -0.03 -3.22 0.04 0.00 -1.56 0.00 0.00 34.95 30.18 1x5j s ARG 26 CO 0.01 0.08 -0.10 0.42 -0.81 0.00 0.00 175.30 174.89 1x5j s ILE 27 N 0.89 2.46 -0.02 4.11 -1.09 0.14 -2.11 121.20 125.58 1x5j s ILE 27 Ca 0.03 -1.25 0.04 0.00 -2.23 0.00 0.00 60.65 57.25 1x5j s ILE 27 Cb -0.14 -2.28 -0.01 0.00 -1.58 0.00 0.00 42.46 38.45 1x5j s ILE 27 CO 0.02 0.17 -0.15 0.42 -1.23 0.00 0.00 174.94 174.18 1x5j s THR 28 N 1.23 1.16 0.24 2.92 -4.23 -1.25 0.11 115.64 115.82 1x5j s THR 28 Ca -0.02 -0.62 0.01 0.00 -1.18 0.00 0.00 61.69 59.88 1x5j s THR 28 Cb -0.17 -0.98 -0.04 0.00 1.34 0.00 0.00 72.50 72.65 1x5j s THR 28 CO -0.06 0.33 0.15 -1.66 -0.54 0.00 0.00 174.62 172.84 1x5j s TRP 29 N -0.26 1.34 0.26 3.99 -2.14 -1.04 -2.86 118.94 118.23 1x5j s TRP 29 Ca 0.04 -1.40 0.11 0.00 2.66 0.00 0.00 56.10 57.51 1x5j s TRP 29 Cb -0.07 -0.65 -0.05 0.00 -3.10 0.00 0.00 33.47 29.60 1x5j s TRP 29 CO -0.00 -0.63 -0.20 0.00 -2.66 0.00 0.00 176.95 173.46 1x5j s ALA 30 N -3.94 2.63 0.09 2.67 0.00 0.49 -4.70 121.76 119.01 1x5j s ALA 30 Ca 0.39 -1.81 0.09 0.00 0.00 0.00 0.00 51.96 50.63 1x5j s ALA 30 Cb 0.06 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 1x5j s ALA 30 CO 0.15 0.29 -0.22 0.16 0.00 0.00 0.00 175.76 176.14 1x5j s ASP 31 N -3.33 3.60 -0.21 0.00 -4.77 -1.26 -2.09 116.67 108.62 1x5j s ASP 31 Ca 0.27 -0.59 0.13 0.00 -3.30 0.00 0.00 52.55 49.07 1x5j s ASP 31 Cb -0.05 -0.43 0.43 0.00 -1.09 0.00 0.00 42.92 41.78 1x5j s ASP 31 CO 0.13 0.21 1.31 0.59 0.70 0.00 0.00 175.17 178.11 1x5j n ASN 32 N 1.13 2.44 -0.00 2.11 5.03 -1.26 -4.71 115.26 119.99 1x5j n ASN 32 Ca -0.17 -3.53 -0.04 0.00 0.87 0.00 0.00 54.58 51.72 1x5j n ASN 32 Cb 0.53 -0.54 -0.01 0.00 -1.02 0.00 0.00 39.78 38.73 1x5j n ASN 32 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1x5j n SER 33 N -1.10 1.27 -4.33 6.41 7.64 -1.26 -5.05 113.62 117.20 1x5j n SER 33 Ca 0.23 0.19 -0.43 0.00 1.01 0.00 0.00 58.87 59.86 1x5j n SER 33 Cb 0.81 -0.44 -0.01 0.00 -1.01 0.00 0.00 64.21 63.57 1x5j n SER 33 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1x5j n LEU 34 N -3.75 -2.41 0.00 -3.43 4.77 -1.26 -4.95 117.00 105.97 1x5j n LEU 34 Ca -0.07 0.89 0.00 0.00 -0.03 0.00 0.00 56.01 56.81 1x5j n LEU 34 Cb 0.24 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 1x5j n LEU 34 CO 0.06 -3.88 0.00 -0.81 -1.33 0.00 0.00 177.39 171.43 1x5j n PRO 35 N 1.24 -0.57 0.20 3.23 -0.04 -1.26 -4.80 135.00 133.01 1x5j n PRO 35 Ca 0.13 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.74 1x5j n PRO 35 Cb 0.36 0.00 0.61 0.00 -0.04 0.00 0.00 33.50 34.43 1x5j n PRO 35 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1x5j h LYS 36 N 0.00 0.00 -4.60 0.54 2.10 -2.04 -3.30 116.57 109.27 1x5j h LYS 36 Ca 0.00 0.00 -0.69 0.00 -2.00 0.00 0.00 60.65 57.96 1x5j h LYS 36 Cb 0.00 0.00 -0.34 0.00 -0.90 0.00 0.00 32.23 30.99 1x5j h LYS 36 CO 0.00 0.00 -0.61 -3.38 -2.00 0.00 0.00 179.45 173.46 1x5j s HIS 37 N -4.26 3.47 -0.69 0.07 -3.43 -1.26 -5.05 115.29 104.14 1x5j s HIS 37 Ca -0.03 -2.20 -0.26 0.00 -0.80 0.00 0.00 55.06 51.77 1x5j s HIS 37 Cb 0.10 -2.78 -0.04 0.00 -1.43 0.00 0.00 32.58 28.42 1x5j s HIS 37 CO 0.32 -0.90 2.00 -0.65 -2.00 0.00 0.00 174.74 173.51 1x5j s GLN 38 N 1.18 2.46 -0.13 -0.38 -0.21 -1.24 -4.90 119.66 116.44 1x5j s GLN 38 Ca 0.03 0.46 -0.04 0.00 0.02 0.00 0.00 55.36 55.84 1x5j s GLN 38 Cb -0.21 -4.63 0.06 0.00 1.00 0.00 0.00 33.01 29.23 1x5j s GLN 38 CO -0.03 -3.11 0.15 0.15 -2.12 0.00 0.00 175.29 170.33 1x5j s LYS 39 N 7.34 0.07 -0.33 2.91 1.02 -1.26 -5.10 119.74 124.38 1x5j s LYS 39 Ca 0.74 0.33 -0.29 0.00 0.02 0.00 0.00 55.97 56.77 1x5j s LYS 39 Cb -0.12 -0.85 0.02 0.00 -0.52 0.00 0.00 37.83 36.37 1x5j s LYS 39 CO 0.15 -0.47 1.06 0.42 -0.92 0.00 0.00 175.35 175.59 1x5j s ILE 40 N 2.26 4.50 -0.10 2.17 1.01 -1.26 -4.91 121.20 124.88 1x5j s ILE 40 Ca 0.04 1.67 -0.00 0.00 0.00 0.00 0.00 60.65 62.36 1x5j s ILE 40 Cb -0.14 -4.42 0.09 0.00 0.01 0.00 0.00 42.46 38.00 1x5j s ILE 40 CO -0.08 -0.51 1.74 0.35 0.00 0.00 0.00 174.94 176.45 1x5j n THR 41 N 5.92 1.99 -1.82 2.92 -2.24 -1.26 -4.76 114.28 115.03 1x5j n THR 41 Ca 0.12 -0.72 -0.04 0.00 -2.27 0.00 0.00 64.05 61.13 1x5j n THR 41 Cb 0.47 -1.28 -0.01 0.00 -2.10 0.00 0.00 70.33 67.42 1x5j n THR 41 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1x5j n ASP 42 N 0.82 -1.60 0.06 3.42 -0.08 -1.26 -4.71 116.55 113.19 1x5j n ASP 42 Ca 0.10 0.25 0.04 0.00 -1.51 0.00 0.00 54.79 53.67 1x5j n ASP 42 Cb 0.58 -1.62 -0.06 0.00 2.34 0.00 0.00 41.12 42.36 1x5j n ASP 42 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1x5j n SER 43 N -0.57 0.86 -4.44 1.67 7.64 -1.26 -4.93 113.62 112.58 1x5j n SER 43 Ca -0.05 0.36 -0.23 0.00 1.01 0.00 0.00 58.87 59.97 1x5j n SER 43 Cb 0.35 0.25 -0.10 0.00 -1.01 0.00 0.00 64.21 63.69 1x5j n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x5j s ARG 44 N -3.07 1.61 -0.05 1.43 1.70 -1.26 -4.91 118.95 114.39 1x5j s ARG 44 Ca -0.02 -1.73 0.00 0.00 -0.47 0.00 0.00 55.73 53.51 1x5j s ARG 44 Cb 0.09 -1.65 0.02 0.00 -0.57 0.00 0.00 34.95 32.85 1x5j s ARG 44 CO 0.80 0.30 -0.02 1.52 -1.08 0.00 0.00 175.30 176.83 1x5j s TYR 45 N -2.57 0.63 0.17 5.89 1.13 -1.25 -4.76 117.35 116.58 1x5j s TYR 45 Ca 0.28 -0.15 -0.14 0.00 -1.41 0.00 0.00 57.07 55.65 1x5j s TYR 45 Cb -0.04 -0.65 -0.07 0.00 -1.10 0.00 0.00 41.96 40.09 1x5j s TYR 45 CO 0.13 -0.22 0.57 0.71 -2.51 0.00 0.00 175.55 174.23 1x5j s TYR 46 N 1.29 3.58 -0.14 -3.49 2.02 -1.11 -3.60 117.35 115.90 1x5j s TYR 46 Ca -0.05 1.07 0.00 0.00 -0.37 0.00 0.00 57.07 57.72 1x5j s TYR 46 Cb -0.13 -2.39 0.02 0.00 -0.40 0.00 0.00 41.96 39.06 1x5j s TYR 46 CO -0.02 0.38 -0.13 0.99 -1.57 0.00 0.00 175.55 175.20 1x5j s THR 47 N -1.54 1.50 -0.16 -0.71 2.01 -0.95 -2.11 115.64 113.68 1x5j s THR 47 Ca 0.40 -0.59 -0.05 0.00 0.31 0.00 0.00 61.69 61.76 1x5j s THR 47 Cb -0.14 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.92 1x5j s THR 47 CO 0.19 0.45 0.02 -0.69 -0.69 0.00 0.00 174.62 173.90 1x5j s VAL 48 N 1.46 4.38 0.20 3.82 1.01 -1.22 -2.45 120.40 127.59 1x5j s VAL 48 Ca 0.04 -0.19 0.09 0.00 0.00 0.00 0.00 61.98 61.92 1x5j s VAL 48 Cb -0.13 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 1x5j s VAL 48 CO -0.09 0.49 -0.09 0.00 0.00 0.00 0.00 175.10 175.40 1x5j s ARG 49 N 0.27 2.06 -0.27 2.72 1.70 -0.80 -0.64 118.95 123.99 1x5j s ARG 49 Ca 0.01 -1.32 -0.24 0.00 -0.47 0.00 0.00 55.73 53.70 1x5j s ARG 49 Cb -0.13 -2.13 0.07 0.00 -0.57 0.00 0.00 34.95 32.19 1x5j s ARG 49 CO 0.01 0.42 0.73 1.67 -1.08 0.00 0.00 175.30 177.05 1x5j s TRP 50 N -1.83 -0.80 0.15 5.89 -2.14 -0.68 -2.31 118.94 117.21 1x5j s TRP 50 Ca 0.26 1.92 -0.09 0.00 2.66 0.00 0.00 56.10 60.84 1x5j s TRP 50 Cb -0.08 0.31 -0.00 0.00 -3.10 0.00 0.00 33.47 30.60 1x5j s TRP 50 CO 0.16 -0.39 0.27 -1.59 -2.66 0.00 0.00 176.95 172.74 1x5j s LYS 51 N 0.51 1.09 -0.21 3.25 0.00 -1.23 -3.03 119.74 120.12 1x5j s LYS 51 Ca -0.01 -1.10 -0.18 0.00 0.00 0.00 0.00 55.97 54.69 1x5j s LYS 51 Cb -0.05 0.38 -0.03 0.00 0.00 0.00 0.00 37.83 38.12 1x5j s LYS 51 CO -0.01 -0.39 0.49 0.95 0.00 0.00 0.00 175.35 176.38 1x5j s THR 52 N -3.93 5.12 0.50 3.79 -4.23 -1.26 -2.92 115.64 112.71 1x5j s THR 52 Ca 0.14 0.89 0.17 0.00 -1.18 0.00 0.00 61.69 61.70 1x5j s THR 52 Cb 0.03 -3.81 0.30 0.00 1.34 0.00 0.00 72.50 70.36 1x5j s THR 52 CO -0.03 0.19 2.09 -1.13 -0.54 0.00 0.00 174.62 175.20 1x5j h ASN 53 N 7.49 0.08 -3.31 3.99 -0.00 -1.98 -3.40 115.58 118.45 1x5j h ASN 53 Ca -0.34 -0.00 -0.48 0.00 -0.00 0.00 0.00 56.30 55.48 1x5j h ASN 53 Cb 1.16 -0.02 -0.36 0.00 -0.00 0.00 0.00 38.32 39.10 1x5j h ASN 53 CO 0.73 0.06 -0.79 -0.63 -0.00 0.00 0.00 177.43 176.80 1x5j s ILE 54 N -5.13 0.79 0.00 2.57 1.01 -1.26 -3.65 121.20 115.53 1x5j s ILE 54 Ca -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.39 1x5j s ILE 54 Cb 0.18 -0.82 0.00 0.00 0.01 0.00 0.00 42.46 41.83 1x5j s ILE 54 CO 0.70 0.31 0.00 -0.81 0.00 0.00 0.00 174.94 175.13 1x5j n PRO 55 N 4.54 -0.07 -0.09 2.79 -0.04 -1.26 -5.07 135.00 135.81 1x5j n PRO 55 Ca -0.16 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.21 1x5j n PRO 55 Cb 0.51 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.84 1x5j n PRO 55 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x5j n ALA 56 N -3.00 1.58 -0.05 0.55 0.00 -1.24 -4.42 120.51 113.93 1x5j n ALA 56 Ca 0.00 -1.09 0.13 0.00 0.00 0.00 0.00 53.44 52.48 1x5j n ALA 56 Cb 0.00 -0.09 0.54 0.00 0.00 0.00 0.00 19.45 19.89 1x5j n ALA 56 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1x5j h ASN 57 N 0.00 0.29 -1.35 0.00 -1.24 -1.92 -3.44 115.58 107.93 1x5j h ASN 57 Ca -0.46 0.01 -0.55 0.00 0.71 0.00 0.00 56.30 56.01 1x5j h ASN 57 Cb 2.00 -0.05 0.13 0.00 0.73 0.00 0.00 38.32 41.12 1x5j h ASN 57 CO 0.01 0.18 -0.76 0.35 -1.29 0.00 0.00 177.43 175.92 1x5j n THR 58 N -4.46 0.79 -2.29 -3.57 -2.24 -1.26 -4.94 114.28 96.32 1x5j n THR 58 Ca 0.09 -0.44 -0.25 0.00 -2.27 0.00 0.00 64.05 61.18 1x5j n THR 58 Cb 0.38 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.68 1x5j n THR 58 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1x5j s LYS 59 N -0.87 2.26 -0.09 -0.78 -2.85 -1.26 -4.98 119.74 111.16 1x5j s LYS 59 Ca 0.53 -0.36 -0.11 0.00 -1.00 0.00 0.00 55.97 55.02 1x5j s LYS 59 Cb -0.61 -2.23 -0.05 0.00 -2.06 0.00 0.00 37.83 32.88 1x5j s LYS 59 CO 0.54 -1.14 0.27 0.71 0.10 0.00 0.00 175.35 175.82 1x5j s TYR 60 N -3.15 3.60 0.21 1.78 1.51 -1.26 -4.74 117.35 115.29 1x5j s TYR 60 Ca 0.60 0.70 0.08 0.00 -1.01 0.00 0.00 57.07 57.43 1x5j s TYR 60 Cb -0.11 -2.17 -0.04 0.00 -0.11 0.00 0.00 41.96 39.54 1x5j s TYR 60 CO 0.43 0.57 0.01 0.15 -1.11 0.00 0.00 175.55 175.60 1x5j s LYS 61 N -0.62 2.38 -0.07 -0.62 1.02 -1.17 -5.00 119.74 115.66 1x5j s LYS 61 Ca 0.18 -1.21 -0.17 0.00 0.02 0.00 0.00 55.97 54.79 1x5j s LYS 61 Cb -0.14 -2.30 0.04 0.00 -0.52 0.00 0.00 37.83 34.91 1x5j s LYS 61 CO 0.07 0.42 0.41 0.54 -0.92 0.00 0.00 175.35 175.87 1x5j s ASN 62 N -3.22 -0.35 0.45 2.83 2.20 -1.26 -1.68 114.94 113.91 1x5j s ASN 62 Ca 0.29 0.44 0.00 0.00 -0.94 0.00 0.00 52.86 52.65 1x5j s ASN 62 Cb -0.08 0.53 0.00 0.00 -2.00 0.00 0.00 41.25 39.70 1x5j s ASN 62 CO 0.19 -0.37 0.03 0.00 -2.94 0.00 0.00 177.10 174.00 1x5j n ALA 63 N 1.74 0.40 -3.71 3.54 0.00 0.19 -4.97 120.51 117.70 1x5j n ALA 63 Ca -0.18 -1.99 -0.21 0.00 0.00 0.00 0.00 53.44 51.06 1x5j n ALA 63 Cb 0.56 1.07 -0.17 0.00 0.00 0.00 0.00 19.45 20.91 1x5j n ALA 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x5j s ASN 64 N -3.47 1.20 -0.29 0.00 4.22 -1.26 -3.46 114.94 111.88 1x5j s ASN 64 Ca 0.02 -0.09 -0.14 0.00 -2.14 0.00 0.00 52.86 50.51 1x5j s ASN 64 Cb -0.00 -0.41 0.12 0.00 1.28 0.00 0.00 41.25 42.23 1x5j s ASN 64 CO 0.01 -0.13 0.74 0.00 -2.04 0.00 0.00 177.10 175.68 1x5j s ALA 65 N 1.47 -2.08 -0.74 3.54 0.00 -0.90 -5.05 121.76 118.00 1x5j s ALA 65 Ca -0.03 2.33 -0.21 0.00 0.00 0.00 0.00 51.96 54.06 1x5j s ALA 65 Cb -0.13 -1.66 0.10 0.00 0.00 0.00 0.00 23.12 21.42 1x5j s ALA 65 CO -0.03 -0.65 0.98 0.95 0.00 0.00 0.00 175.76 177.02 1x5j s THR 66 N 2.17 4.53 0.01 0.00 -4.23 -1.26 -2.75 115.64 114.12 1x5j s THR 66 Ca -0.08 -0.87 -0.28 0.00 -1.18 0.00 0.00 61.69 59.28 1x5j s THR 66 Cb -0.08 -4.69 0.10 0.00 1.34 0.00 0.00 72.50 69.18 1x5j s THR 66 CO -0.19 -1.43 1.25 0.28 -0.54 0.00 0.00 174.62 173.99 1x5j s THR 67 N 3.40 0.00 -0.37 3.99 -1.32 -1.26 -4.98 115.64 115.09 1x5j s THR 67 Ca 0.24 -0.25 0.08 0.00 -1.21 0.00 0.00 61.69 60.55 1x5j s THR 67 Cb -0.14 -2.54 0.64 0.00 -1.51 0.00 0.00 72.50 68.95 1x5j s THR 67 CO 0.03 0.00 1.64 0.18 -2.21 0.00 0.00 174.62 174.26 1x5j n LEU 68 N -0.70 5.47 0.00 9.08 4.77 -1.26 -4.80 117.00 129.56 1x5j n LEU 68 Ca -0.02 -2.84 -0.03 0.00 -0.03 0.00 0.00 56.01 53.09 1x5j n LEU 68 Cb 0.60 -0.71 0.01 0.00 -2.33 0.00 0.00 43.42 41.00 1x5j n LEU 68 CO 0.15 0.73 0.41 -1.54 -1.33 0.00 0.00 177.39 175.80 1x5j n SER 69 N -0.06 -1.17 -3.64 -1.43 3.41 -1.26 -2.50 113.62 106.97 1x5j n SER 69 Ca 0.34 -1.71 -0.05 0.00 -0.26 0.00 0.00 58.87 57.19 1x5j n SER 69 Cb 1.23 1.92 -0.07 0.00 -0.26 0.00 0.00 64.21 67.04 1x5j n SER 69 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1x5j s TYR 70 N -4.26 -0.20 -0.33 7.33 6.14 0.29 -4.95 117.35 121.38 1x5j s TYR 70 Ca 0.12 0.47 -0.01 0.00 0.64 0.00 0.00 57.07 58.29 1x5j s TYR 70 Cb -0.02 0.44 0.07 0.00 0.42 0.00 0.00 41.96 42.87 1x5j s TYR 70 CO 0.05 -0.10 0.04 -1.17 0.64 0.00 0.00 175.55 175.01 1x5j s LEU 71 N 0.02 4.27 0.07 6.97 1.98 -1.26 0.27 118.68 131.00 1x5j s LEU 71 Ca 0.06 -1.58 -0.17 0.00 -2.89 0.00 0.00 54.13 49.54 1x5j s LEU 71 Cb -0.05 -1.71 -0.06 0.00 0.66 0.00 0.00 46.19 45.03 1x5j s LEU 71 CO -0.12 -0.33 0.53 -0.69 -1.89 0.00 0.00 176.35 173.84 1x5j s VAL 72 N 1.16 4.83 0.21 1.68 1.01 -0.66 -4.97 120.40 123.67 1x5j s VAL 72 Ca -0.00 1.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.98 1x5j s VAL 72 Cb -0.20 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 1x5j s VAL 72 CO -0.03 0.50 0.22 0.42 0.00 0.00 0.00 175.10 176.20 1x5j s THR 73 N -1.18 0.00 0.00 3.92 -4.23 -1.26 -1.18 115.64 111.71 1x5j s THR 73 Ca 0.29 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 1x5j s THR 73 Cb -0.18 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.25 1x5j s THR 73 CO 0.18 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.86 1x5j n GLY 74 N -0.29 0.73 3.99 3.99 0.00 -0.39 -4.99 105.19 108.22 1x5j n GLY 74 Ca 0.01 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 45.11 1x5j n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x5j s LEU 75 N -0.45 3.91 0.01 0.99 1.43 -1.23 -5.08 118.68 118.26 1x5j s LEU 75 Ca 0.00 -0.12 -0.15 0.00 -1.03 0.00 0.00 54.13 52.83 1x5j s LEU 75 Cb 0.00 -2.81 -0.06 0.00 0.03 0.00 0.00 46.19 43.35 1x5j s LEU 75 CO 0.00 -0.49 0.43 -0.54 0.23 0.00 0.00 176.35 175.98 1x5j s LYS 76 N -4.24 3.94 0.69 1.70 3.01 -1.26 -4.35 119.74 119.24 1x5j s LYS 76 Ca 0.46 0.44 -0.14 0.00 -1.01 0.00 0.00 55.97 55.73 1x5j s LYS 76 Cb -0.10 -3.22 0.02 0.00 -1.01 0.00 0.00 37.83 33.52 1x5j s LYS 76 CO 0.32 0.68 1.10 -1.25 0.51 0.00 0.00 175.35 176.72 1x5j s PRO 77 N -1.11 2.64 -1.36 -1.68 0.04 -1.24 -3.81 135.00 128.49 1x5j s PRO 77 Ca 0.25 1.33 -0.10 0.00 0.04 0.00 0.00 61.00 62.51 1x5j s PRO 77 Cb -0.17 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.44 1x5j s PRO 77 CO 0.14 -1.37 0.43 -1.71 0.04 0.00 0.00 177.00 174.54 1x5j n ASN 78 N -2.74 -1.62 -3.43 6.66 5.15 -1.21 -4.90 115.26 113.17 1x5j n ASN 78 Ca 0.10 -1.13 -0.06 0.00 -0.60 0.00 0.00 54.58 52.89 1x5j n ASN 78 Cb 0.52 -2.51 -0.07 0.00 -0.53 0.00 0.00 39.78 37.19 1x5j n ASN 78 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1x5j s THR 79 N -3.89 -0.71 0.26 -0.44 2.01 -1.25 -5.03 115.64 106.58 1x5j s THR 79 Ca 0.18 0.02 -0.31 0.00 0.31 0.00 0.00 61.69 61.89 1x5j s THR 79 Cb -0.08 -0.81 -0.13 0.00 0.01 0.00 0.00 72.50 71.49 1x5j s THR 79 CO 0.93 -0.03 1.51 -0.11 -0.69 0.00 0.00 174.62 176.22 1x5j n LEU 80 N 5.39 3.70 -4.16 4.42 7.94 -1.26 -4.20 117.00 128.83 1x5j n LEU 80 Ca -0.05 1.14 -0.20 0.00 -1.11 0.00 0.00 56.01 55.78 1x5j n LEU 80 Cb 0.50 -1.51 -0.13 0.00 0.53 0.00 0.00 43.42 42.81 1x5j n LEU 80 CO 0.03 -0.17 -0.47 -0.31 -1.11 0.00 0.00 177.39 175.36 1x5j s TYR 81 N 0.03 1.28 0.02 1.96 2.02 -1.15 -4.14 117.35 117.38 1x5j s TYR 81 Ca 0.67 -0.37 0.01 0.00 -0.37 0.00 0.00 57.07 57.01 1x5j s TYR 81 Cb -0.58 -0.75 -0.04 0.00 -0.40 0.00 0.00 41.96 40.19 1x5j s TYR 81 CO 0.48 0.05 0.08 -2.00 -1.57 0.00 0.00 175.55 172.59 1x5j s GLU 82 N -1.24 3.00 -0.02 -0.62 -6.30 -1.15 -2.12 118.70 110.25 1x5j s GLU 82 Ca 0.02 -0.56 -0.05 0.00 -2.50 0.00 0.00 54.97 51.88 1x5j s GLU 82 Cb -0.08 -2.81 0.01 0.00 0.00 0.00 0.00 34.13 31.25 1x5j s GLU 82 CO 0.01 0.62 0.11 -0.06 0.02 0.00 0.00 175.26 175.97 1x5j s PHE 83 N -1.25 -0.04 0.05 5.30 0.08 -0.89 -3.48 117.98 117.75 1x5j s PHE 83 Ca 0.25 0.10 -0.17 0.00 0.12 0.00 0.00 56.93 57.22 1x5j s PHE 83 Cb -0.12 -0.01 0.03 0.00 -0.57 0.00 0.00 43.02 42.36 1x5j s PHE 83 CO 0.16 -0.15 0.40 0.45 -0.10 0.00 0.00 175.22 175.98 1x5j s SER 84 N -0.55 -0.26 0.04 1.36 0.15 -0.98 -1.25 113.70 112.20 1x5j s SER 84 Ca -0.06 -0.03 0.04 0.00 0.70 0.00 0.00 55.95 56.60 1x5j s SER 84 Cb -0.04 0.42 -0.02 0.00 -1.71 0.00 0.00 66.02 64.67 1x5j s SER 84 CO 0.00 -0.66 -0.13 -0.69 1.20 0.00 0.00 173.24 172.97 1x5j s VAL 85 N -2.51 1.00 0.11 4.45 1.01 -1.26 -1.91 120.40 121.28 1x5j s VAL 85 Ca -0.05 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 60.90 1x5j s VAL 85 Cb -0.01 -0.92 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 1x5j s VAL 85 CO -0.03 -0.03 0.16 0.00 0.00 0.00 0.00 175.10 175.20 1x5j s MET 86 N -1.13 0.91 -0.03 2.72 0.23 -1.03 -2.38 119.30 118.59 1x5j s MET 86 Ca 0.00 -1.12 0.07 0.00 -1.03 0.00 0.00 55.69 53.61 1x5j s MET 86 Cb -0.08 0.32 -0.02 0.00 -1.53 0.00 0.00 34.83 33.53 1x5j s MET 86 CO 0.01 -0.29 -0.25 0.54 -2.03 0.00 0.00 175.02 173.01 1x5j s VAL 87 N -3.92 2.00 -0.02 5.16 0.11 -1.26 -2.24 120.40 120.23 1x5j s VAL 87 Ca 0.11 -1.06 0.03 0.00 -2.93 0.00 0.00 61.98 58.12 1x5j s VAL 87 Cb 0.05 -1.67 0.00 0.00 -1.53 0.00 0.00 36.38 33.23 1x5j s VAL 87 CO -0.06 0.56 -0.09 -0.89 -3.33 0.00 0.00 175.10 171.29 1x5j s THR 88 N -0.41 0.78 0.01 5.04 2.01 -1.24 -2.10 115.64 119.74 1x5j s THR 88 Ca 0.04 -0.38 -0.08 0.00 0.31 0.00 0.00 61.69 61.59 1x5j s THR 88 Cb -0.11 -0.69 0.00 0.00 0.01 0.00 0.00 72.50 71.71 1x5j s THR 88 CO 0.01 0.24 0.15 -0.54 -0.69 0.00 0.00 174.62 173.79 1x5j s LYS 89 N 0.08 0.55 1.63 4.92 1.02 -0.87 -3.92 119.74 123.15 1x5j s LYS 89 Ca -0.01 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 55.49 1x5j s LYS 89 Cb -0.07 0.23 0.00 0.00 -0.52 0.00 0.00 37.83 37.46 1x5j s LYS 89 CO 0.00 -0.14 0.00 0.41 -0.92 0.00 0.00 175.35 174.70 1x5j n GLY 90 N 1.19 0.71 0.02 -3.33 0.00 -1.26 -0.27 105.19 102.24 1x5j n GLY 90 Ca -0.21 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1x5j n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5j n ARG 91 N 0.00 1.20 -4.58 1.61 1.74 -1.26 -5.08 116.66 110.30 1x5j n ARG 91 Ca 0.00 -0.96 -0.32 0.00 -0.77 0.00 0.00 57.85 55.80 1x5j n ARG 91 Cb 0.00 -0.72 -0.06 0.00 -1.02 0.00 0.00 32.46 30.67 1x5j n ARG 91 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1x5j s ARG 92 N -0.46 2.23 0.16 5.56 1.70 0.62 -5.16 118.95 123.60 1x5j s ARG 92 Ca 0.01 -2.35 -0.14 0.00 -0.47 0.00 0.00 55.73 52.77 1x5j s ARG 92 Cb 0.01 -1.65 0.05 0.00 -0.57 0.00 0.00 34.95 32.79 1x5j s ARG 92 CO 0.00 -0.46 0.70 -1.13 -1.08 0.00 0.00 175.30 173.33 1x5j n SER 93 N -1.42 -1.32 -4.26 -2.89 3.41 -1.26 -2.06 113.62 103.82 1x5j n SER 93 Ca -0.17 -1.75 -0.21 0.00 -0.26 0.00 0.00 58.87 56.48 1x5j n SER 93 Cb 0.66 2.16 -0.12 0.00 -0.26 0.00 0.00 64.21 66.66 1x5j n SER 93 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x5j s SER 94 N -2.69 2.27 1.19 4.04 1.04 -0.89 -3.27 113.70 115.40 1x5j s SER 94 Ca 0.15 -0.73 -0.17 0.00 0.48 0.00 0.00 55.95 55.68 1x5j s SER 94 Cb -0.02 -0.11 0.22 0.00 0.10 0.00 0.00 66.02 66.21 1x5j s SER 94 CO 0.05 -0.03 0.46 1.07 0.98 0.00 0.00 173.24 175.77 1x5j n THR 95 N 0.85 0.00 -2.60 2.02 5.66 -1.26 -4.55 114.28 114.40 1x5j n THR 95 Ca -0.18 -0.26 -0.43 0.00 -3.05 0.00 0.00 64.05 60.14 1x5j n THR 95 Cb 0.55 -0.75 -0.02 0.00 -1.55 0.00 0.00 70.33 68.56 1x5j n THR 95 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1x5j s TRP 96 N -2.22 3.15 1.08 1.09 0.52 -1.26 -4.52 118.94 116.78 1x5j s TRP 96 Ca 0.58 1.26 -0.19 0.00 0.02 0.00 0.00 56.10 57.76 1x5j s TRP 96 Cb -0.14 -3.52 0.07 0.00 -1.15 0.00 0.00 33.47 28.72 1x5j s TRP 96 CO 0.59 -0.84 -0.21 -1.13 0.02 0.00 0.00 176.95 175.38 1x5j n SER 97 N 6.68 -2.60 -4.65 2.95 3.41 -1.00 -4.75 113.62 113.66 1x5j n SER 97 Ca 0.12 -0.16 -0.50 0.00 -0.26 0.00 0.00 58.87 58.07 1x5j n SER 97 Cb 0.46 -0.83 -0.05 0.00 -0.26 0.00 0.00 64.21 63.53 1x5j n SER 97 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1x5j n MET 98 N -1.21 1.71 -1.89 4.33 0.00 -1.26 -4.72 117.12 114.06 1x5j n MET 98 Ca 0.01 0.62 -0.42 0.00 0.00 0.00 0.00 57.70 57.90 1x5j n MET 98 Cb 0.59 -2.35 -0.03 0.00 0.00 0.00 0.00 33.22 31.44 1x5j n MET 98 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1x5j s THR 99 N 1.60 3.38 -0.30 3.17 2.01 -1.26 -4.81 115.64 119.43 1x5j s THR 99 Ca 0.85 0.45 -0.15 0.00 0.31 0.00 0.00 61.69 63.15 1x5j s THR 99 Cb -0.82 -3.35 -0.03 0.00 0.01 0.00 0.00 72.50 68.32 1x5j s THR 99 CO 0.46 -0.10 0.35 0.00 -0.69 0.00 0.00 174.62 174.64 1x5j s ALA 100 N 5.08 3.53 -0.01 7.40 0.00 -0.38 -4.93 121.76 132.44 1x5j s ALA 100 Ca 0.81 -1.00 -0.18 0.00 0.00 0.00 0.00 51.96 51.59 1x5j s ALA 100 Cb -0.33 -2.73 -0.05 0.00 0.00 0.00 0.00 23.12 20.01 1x5j s ALA 100 CO 0.33 -0.80 0.51 -1.01 0.00 0.00 0.00 175.76 174.79 1x5j s HIS 101 N 2.02 3.69 -0.20 0.00 3.76 -1.26 -2.09 115.29 121.20 1x5j s HIS 101 Ca 0.13 1.08 -0.04 0.00 -0.15 0.00 0.00 55.06 56.08 1x5j s HIS 101 Cb -0.16 -2.48 0.10 0.00 1.11 0.00 0.00 32.58 31.15 1x5j s HIS 101 CO 0.11 0.45 0.31 0.20 -0.85 0.00 0.00 174.74 174.95 1x5j s GLY 102 N -0.47 -0.20 -0.24 -2.22 0.00 -0.90 -4.85 107.32 98.43 1x5j s GLY 102 Ca 0.27 0.79 -0.17 0.00 0.00 0.00 0.00 44.72 45.61 1x5j s GLY 102 CO 0.15 2.30 0.45 -1.59 0.00 0.00 0.00 173.10 174.40 1x5j s THR 103 N 2.45 5.14 0.65 0.90 2.01 -1.26 -2.94 115.64 122.59 1x5j s THR 103 Ca 0.06 0.77 -0.15 0.00 0.31 0.00 0.00 61.69 62.68 1x5j s THR 103 Cb -0.14 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.59 1x5j s THR 103 CO -0.12 0.17 1.10 0.42 -0.69 0.00 0.00 174.62 175.49 1x5j s THR 104 N 1.85 3.37 0.39 -0.82 -4.23 -1.26 -4.93 115.64 110.00 1x5j s THR 104 Ca 0.19 0.63 -0.25 0.00 -1.18 0.00 0.00 61.69 61.09 1x5j s THR 104 Cb -0.15 -3.16 -0.09 0.00 1.34 0.00 0.00 72.50 70.44 1x5j s THR 104 CO 0.09 -0.40 1.12 -0.36 -0.54 0.00 0.00 174.62 174.54 1x5j s PHE 105 N -2.37 3.18 0.81 3.99 0.08 -1.26 -3.28 117.98 119.13 1x5j s PHE 105 Ca 0.66 1.60 -0.14 0.00 0.12 0.00 0.00 56.93 59.17 1x5j s PHE 105 Cb -0.19 -3.30 0.02 0.00 -0.57 0.00 0.00 43.02 38.98 1x5j s PHE 105 CO 0.41 -1.02 0.72 -0.85 -0.10 0.00 0.00 175.22 174.38 1x5j n GLU 106 N 0.13 0.11 0.07 0.44 0.00 -1.26 -3.97 120.64 116.16 1x5j n GLU 106 Ca 0.04 0.09 0.00 0.00 0.00 0.00 0.00 57.16 57.29 1x5j n GLU 106 Cb 0.47 -2.04 0.00 0.00 0.00 0.00 0.00 31.44 29.87 1x5j n GLU 106 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1x5j n LEU 107 N -1.54 0.41 -4.24 -1.84 7.94 -1.26 -4.85 117.00 111.63 1x5j n LEU 107 Ca 0.10 0.22 -0.27 0.00 -1.11 0.00 0.00 56.01 54.95 1x5j n LEU 107 Cb 0.51 -0.01 0.23 0.00 0.53 0.00 0.00 43.42 44.68 1x5j n LEU 107 CO 0.50 -0.70 0.09 -0.24 -1.11 0.00 0.00 177.39 175.92 1x5j n SER 108 N -3.24 -2.96 -3.14 1.96 2.88 -1.26 -5.03 113.62 102.84 1x5j n SER 108 Ca 0.00 -0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.11 1x5j n SER 108 Cb 0.00 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 62.47 1x5j n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5j n GLY 109 N 1.88 -0.12 0.04 0.46 0.00 -1.26 -4.88 105.19 101.31 1x5j n GLY 109 Ca 0.06 -1.47 0.08 0.00 0.00 0.00 0.00 46.02 44.69 1x5j n GLY 109 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5j n PRO 110 N 0.00 0.06 -3.55 1.61 -0.04 -1.26 -4.83 135.00 126.99 1x5j n PRO 110 Ca 0.00 0.31 -0.06 0.00 -0.04 0.00 0.00 63.50 63.71 1x5j n PRO 110 Cb 0.00 -1.62 -0.02 0.00 -0.04 0.00 0.00 33.50 31.82 1x5j n PRO 110 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x5j s SER 111 N -3.40 -0.27 -0.25 3.54 1.04 -1.26 -5.13 113.70 107.96 1x5j s SER 111 Ca 0.06 -0.04 -0.28 0.00 0.48 0.00 0.00 55.95 56.16 1x5j s SER 111 Cb 0.09 0.32 0.01 0.00 0.10 0.00 0.00 66.02 66.54 1x5j s SER 111 CO 0.30 -0.53 1.02 -0.55 0.98 0.00 0.00 173.24 174.46 1x5j s SER 112 N -2.46 7.03 0.00 7.02 0.15 -1.26 -5.06 113.70 119.12 1x5j s SER 112 Ca 0.07 1.27 0.00 0.00 0.70 0.00 0.00 55.95 58.00 1x5j s SER 112 Cb -0.01 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1x5j s SER 112 CO -0.07 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.30